Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11325348 | 0.96 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL7672210 | 0.96 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL2849520 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| Styrene SCHEMBL27178250 | 0.93 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| Styrene SCHEMBL11203687 | 0.88 | ALDH1A1 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL123485 | 0.87 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL8520742 | 0.87 | ALDH1A1 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| Butadiene SCHEMBL5137794 | 0.87 | ALDH1A1 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL14911 | 0.82 | — | — | |
| SCHEMBL679555 | 0.82 | ALDH1A1 (0.69) | CYP3A4CYP2C9CYP2C19ALDH1A1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104619731-A | Paramethylstyrene block copolymers and their use | KRATON POLYMERS US LLC | 2015-05-13 | — | — | CN | disclosed |